4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide

C14H12BrFN2O2 — CID 65203062

IUPAC4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(Br)c(F)c2)ccn1
InChIInChI=1S/C14H12BrFN2O2/c1-18(2)14(19)13-8-10(5-6-17-13)20-9-3-4-11(15)12(16)7-9/h3-8H,1-2H3
InChIKeyONWQKJKSSZFDGX-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.48
Rot. Bonds3

About 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide

4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 65203062) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide
PubChem CID65203062
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(Br)c(F)c2)ccn1
InChIInChI=1S/C14H12BrFN2O2/c1-18(2)14(19)13-8-10(5-6-17-13)20-9-3-4-11(15)12(16)7-9/h3-8H,1-2H3
InChIKeyONWQKJKSSZFDGX-UHFFFAOYSA-N
XLogP3.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide (CID 65203062) is 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(Oc2ccc(Br)c(F)c2)ccn1.
What is the InChIKey of 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is ONWQKJKSSZFDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-18(2)14(19)13-8-10(5-6-17-13)20-9-3-4-11(15)12(16)7-9/h3-8H,1-2H3.
What are the key properties of 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 339.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenoxy)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 65203062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).